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ChemDBsoft Tour


Creation of a New ChemDB Database

Creation of a New ChemDB Database

New command of main menu File item is used to create a new database or library. To do it:

  1. Click a New command of Main menu File item or strike key.
  2. Select the drive, folder and file name in standard File open menu arisen.
  3. Define the fields in Database content window.

The file: *.cdb will be created. When some data will be added to the database, files *.000, *.001... etc will be created.




Editing ChemDB Table

Editing ChemDB Table

To edit Table form for open database:

  1. Select the table name in the Table combobox of View control bar.
  2. Click Edit table... command of main menu View item.
  3. Edit the field columns in Table edition dialog arisen.

The Record contents window will be arranged in agreement with the Table form edited.




Editing ChemDB Form

Editing ChemDB Form

To edit Form for open database:

  1. Select the Form name in the Form combobox of View control bar.
  2. Click Edit form... command of main menu View item.
  3. Edit the field sizes and positions in Form edition window arisen.

The Record contents window will be arranged in agreement with the form edited.




Drawing Structures

Drawing Structures

The Structure is created by Structure Editor (STRED) and consist of connectivity matrix and atomic screen coordinates.

Structure field is obligatory in library. Chemical Structure is optional field, but all operations are similar.







SDF File Import Into a Database

SDF File Import Into a Database

Two modes of importing into open database are possible:

  1. Update switch is turned to ON.
  2. Update switch is turned to OFF.

In first case the information, changing the database content may be imported:

  1. SDF file.
  2. JCAMP file.
  3. In the second case import doesn't affect on database content but controls its representation:
  4. Set of current database.
  5. View form.
  6. Table form.
  7. Print template.

To import data:

  1. Load the database.
  2. Turn Update switch to ON to import SDF or JCAMP files.
  3. Click on Import command of Main menu File item.
  4. Select the path and file to be imported.



SDF File Export From a Database

SDF File Export From a Database

To export dataset as SDF or RDF file:

  1. Open the database to be exported.
  2. Click Export command of Main menu File item.
  3. Select Save database in SD file format (*.sdf) type in Save As... window arisen.
  4. Select Save database in RD file format (*.rdf) type in Save As... window arisen.
  5. Define the path and file name.
  6. Click Save button.
  7. Type password in Password input dialog arisen, if database is protected to export
  8. Select the fields to be exported in SDF or RDF Fields Selection window arisen.

  9. Some fields are transformed into another type in SDF:
    CheD SDF
    Real+units Real
    Boolean String
    Calculated String
    Picture Can not be exported
    Object Can not be exported
    Date String
    Record Separated fields of the record are exported
    Function Can not be exported
    Packed Array Text
    Chemical Structure Can not be exported
    Ranged Text
    Arrays Text
    WWW Link Text
    Database Link Text

    Warning! Due to data types transformations created by CheD SDF file is not garanteed to be read by CheD without data missing!




    LST(list) File Export

    LST(list) File Export

    List type field is used to store string data from the defined list. Each string has its own numerical code, which is stored in the database.